4 papers
Quantum Chemistry at Finite Temperature
Liqiang Wei
In this article, we present emerging fields of quantum chemistry at finite temperature. We discuss its recent developments on both experimental and theoretical fronts. First, we de…
Single-Particle Green Function Approach and Correlated Atomic or Molecular Orbitals
Liqiang Wei
In this paper, we propose a generic and systematic approach for study of the electronic structure for atoms or molecules. In particular, we address the issue of single particle sta…
On Emerging Fields of Quantum Chemistry at Finite Temperature
Liqiang Wei
In this article, we present an emerging field of quantum chemistry at finite temperature. We discuss its recent developments on both theoretical and experimental fronts.We describe…
Exploring the Harmony between Theory and Computation - Toward a unified electronic structure theory
Liqiang Wei
The physical aspect of a general perturbation theory is explored. Its role as a physical principle for understanding the interaction among the matters with different levels of hier…